[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol

C11H17FN4O — CID 80795004

IUPAC[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESCNc1ncc(F)c(N2CCCCC2CO)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(15-11)16-5-3-2-4-8(16)7-17/h6,8,17H,2-5,7H2,1H3,(H,13,14,15)
InChIKeySXWBDYLBYILPKU-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds3

About [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol

[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 80795004) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID80795004
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESCNc1ncc(F)c(N2CCCCC2CO)n1
InChIInChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(15-11)16-5-3-2-4-8(16)7-17/h6,8,17H,2-5,7H2,1H3,(H,13,14,15)
InChIKeySXWBDYLBYILPKU-UHFFFAOYSA-N
XLogP1.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 3121396
[1-(Pyrimidin-4-yl)piperidin-2-yl]methanol
CID 61254152
2-{[5-Fluoro-2-(4-morpholinyl)-4-pyrimidinyl]amino}ethanol
CID 1945080
(1-{3-[(5-Methylpyrimidin-2-YL)amino]propyl}piperidin-2-YL)methanol
CID 72882614
(1-{3-[(2-Amino-5-ethylpyrimidin-4-YL)amino]propyl}piperidin-2-YL)methanol
CID 72910877
2-butoxy-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 151901268
(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanol
CID 129664839
N-[(3-ethyl-4,5-dihydroisoxazol-5-yl)methyl]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
CID 50949745
trans-(1S,2S)-2-[[4-(ethylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 50961909
1-[(2-Amino-5-methylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72934373
(1-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}piperidin-2-YL)methanol
CID 77095845
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750

Frequently Asked Questions

What is the IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol (CID 80795004) is [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol is CNc1ncc(F)c(N2CCCCC2CO)n1.
What is the InChIKey of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is SXWBDYLBYILPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-13-11-14-6-9(12)10(15-11)16-5-3-2-4-8(16)7-17/h6,8,17H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol?
[1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 240.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 80795004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).